4-chloro-1-propyl-5-(trifluoromethoxy)pyrazole

C7H8ClF3N2O — CID 141420742

IUPAC4-chloro-1-propyl-5-(trifluoromethoxy)pyrazole
SMILESCCCn1ncc(Cl)c1OC(F)(F)F
InChIInChI=1S/C7H8ClF3N2O/c1-2-3-13-6(5(8)4-12-13)14-7(9,10)11/h4H,2-3H2,1H3
InChIKeyJUUHXMSJIFGREN-UHFFFAOYSA-N
MW228.60 g/mol
LogP2.85
Rot. Bonds3

About 4-chloro-1-propyl-5-(trifluoromethoxy)pyrazole

4-chloro-1-propyl-5-(trifluoromethoxy)pyrazole (PubChem CID 141420742) has the molecular formula C7H8ClF3N2O and a molecular weight of 228.60 g/mol. Its IUPAC name is 4-chloro-1-propyl-5-(trifluoromethoxy)pyrazole.

Molecular Properties

Compound Name4-chloro-1-propyl-5-(trifluoromethoxy)pyrazole
PubChem CID141420742
Molecular FormulaC7H8ClF3N2O
Molecular Weight228.60 g/mol
Exact Mass228.03
IUPAC Name4-chloro-1-propyl-5-(trifluoromethoxy)pyrazole
SMILESCCCn1ncc(Cl)c1OC(F)(F)F
InChIInChI=1S/C7H8ClF3N2O/c1-2-3-13-6(5(8)4-12-13)14-7(9,10)11/h4H,2-3H2,1H3
InChIKeyJUUHXMSJIFGREN-UHFFFAOYSA-N
XLogP2.85
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.60
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-chloro-1-propylpyrazole
CID 164664603
5-(4-chloro-1-propylpyrazol-5-yl)-1,3-thiazol-2-amine
CID 114663437
5-methoxy-4-methyl-1-propylpyrazole
CID 141420731
[1-(4-chloro-1-propylpyrazol-5-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105248932
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475278
1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835624
5-(4-bromo-2-methylpentan-2-yl)-4-chloro-1-propylpyrazole
CID 114665595
1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine
CID 114648638
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
CID 114651693
1-(4-chloro-1-propylpyrazol-5-yl)-4-methylpentan-3-ol
CID 114664972
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617
1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
CID 114639264

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-propyl-5-(trifluoromethoxy)pyrazole?
The IUPAC name of 4-chloro-1-propyl-5-(trifluoromethoxy)pyrazole (CID 141420742) is 4-chloro-1-propyl-5-(trifluoromethoxy)pyrazole.
What is the SMILES notation for 4-chloro-1-propyl-5-(trifluoromethoxy)pyrazole?
The canonical SMILES for 4-chloro-1-propyl-5-(trifluoromethoxy)pyrazole is CCCn1ncc(Cl)c1OC(F)(F)F.
What is the InChIKey of 4-chloro-1-propyl-5-(trifluoromethoxy)pyrazole?
The InChIKey is JUUHXMSJIFGREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N2O/c1-2-3-13-6(5(8)4-12-13)14-7(9,10)11/h4H,2-3H2,1H3.
What are the key properties of 4-chloro-1-propyl-5-(trifluoromethoxy)pyrazole?
4-chloro-1-propyl-5-(trifluoromethoxy)pyrazole has a molecular weight of 228.60 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-propyl-5-(trifluoromethoxy)pyrazole is sourced from PubChem (CID 141420742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).